SCHEMBL298104

SCHEMBL298104

O=C(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c[nH]c2ncc(Cl)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 2/20 0.53
BRAF P15056 4/20 0.49
CYP3A4 P08684 3/20 0.49
CLK1 P49759 2/20 0.47
FGFR1 P11362 2/20 0.47
KDR P35968 2/20 0.47
BMPR1B O00238 1/20 0.47
PLK4 O00444 1/20 0.47
PIR O00625 1/20 0.47
AURKA O14965 1/20 0.47
DCLK1 O15075 1/20 0.47
EPHB6 O15197 1/20 0.47
RIPK2 O43353 1/20 0.47
STK16 O75716 1/20 0.47
OXSR1 O95747 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
RAF1 P04049 1/20 0.47
LCK P06239 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL298085 0.93 CYP19A1 (0.49) CYP2C9CYP2C19BRAFCYP3A4CLK1
SCHEMBL3710534 0.93 CYP3A4 (0.57) CYP2C9CYP2C19BRAFCYP3A4CLK1
SCHEMBL298707 0.90 CCR9 (0.46) CYP2C9CYP2C19BRAFCYP3A4CLK1
SCHEMBL3709466 0.89 PGR (0.50) CYP2C9CYP2C19BRAFCYP3A4CLK1
SCHEMBL298889 0.88 CCR9 (0.50) CYP2C9CYP2C19BRAFCYP3A4CLK1
SCHEMBL298763 0.87 CYP2C9 (0.57) CYP2C9CYP2C19BRAFCYP3A4CLK1
SCHEMBL297350 0.86 CYP3A4 (0.51) CYP2C9CYP2C19BRAFCYP3A4CLK1
SCHEMBL297843 0.85 GAA (0.48) CYP2C9CYP2C19BRAFCYP3A4KIT
SCHEMBL7869167 0.83 CYP2C9 (0.44) CYP2C9CYP2C19CYP3A4CLK1DYRK1A
SCHEMBL298399 0.83 BRAF (0.45) CYP2C9CYP2C19BRAFCYP3A4CLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C9 2176/4885CYP2C19 2730/4885BRAF 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.